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tropical 3-thiobutyrate

General Material Information

Preferred name tropical 3-thiobutyrate
Trivial Name ethyl 3-methylsulfanylbutanoate
Short Description ethyl 3-(methylthio)butyrate
Formula C7 H14 O2 S
CAS Number 233665-96-8
FEMA Number 3836
FDA UNII K3KKZ020B3
MDL MFCD06204372
xLogP3-AA 1.50 (est)
NMR Predictor External link
JECFA Food Flavoring 480 ethyl 3-(methylthio)butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 233665-96-8 ; ETHYL 3-(METHYLTHIO)BUTYRATE
Synonyms
  • butanoic acid, 3-(methylthio)-, ethyl ester
  • butyric acid, 3-methylthio-, S-ethyl ester
  • ethyl (3-methylthio)butyrate
  • ethyl 3-(methyl thio) butyrate
  • ethyl 3-(methylsulfanyl)butanoate
  • ethyl 3-(methylthio) butyrate
  • ethyl 3-(methylthio)butyrate
  • ethyl 3-(methythio)butanoate
  • ethyl 3-methylsulfanylbutanoate
  • ethyl methylthiobutyrate
  • ethyl-3-(methyl thio) butyrate
  • ethyl-3-(methylthio) butyrate
  • ethyl-3-(methylthio)butyrate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB009374
Export Tariff Code:2930.90.9999
ChemSpider:View
FAO:Ethyl 3-(methylthio)butyrate

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 162.25198364258
Specific gravity @ 25 °C
Pounds per Gallon 7.322 to 7.381
Boiling Point 101 to 103°C @ 15 mm Hg
Vapor Pressure 0.16 mmHg @ 25 °C
Flash Point TCC Value 85.7 °C TCC
logP (o/w) 1.919 est
Solubility
alcohol Yes
oils Yes
water, very slightly Yes
water, 1726 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Tropical
tropical, fruity, pineapple, sulfurous, earthy, fatty, waxy
General comment At 0.10 % in dipropylene glycol. tropical fruity red fruit pineapple sulfurous
Mosciano, Gerard P&F 25, No. 3, 25, (2000) At 1.00 %. Tropical fruity, red fruit, pineapple with sulfurous, earthy, fatty and waxy nuances
Flavor Type: Sulfurous
sulfurous, tropical, fruit overripe fruit, pulpy, vegetable, cheesy
Mosciano, Gerard P&F 25, No. 3, 25, (2000) At 2.50 - 10.00 ppm. Mild sulfurous with tropical overripe fruity pulpy notes. Vegetative and cheesy nuances

Potential Uses

Applications
Odor purposes Blueberry, Fungus, Kiwi, Mango, Peach, Pineapple, Strawberry
Flavoring purposes Cheese blue cheese, Tropical

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for tropical 3-thiobutyrate usage levels up to:
0.0500 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 18
Click here to view publication 18
average usual ppmaverage maximum ppm
baked goods: 1.0000010.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 1.000002.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.0000010.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 0.500005.00000
reconstituted vegetables: --
seasonings / flavors: 10.0000010.00000
snack foods: --
soft candy: --
soups: 1.0000010.00000
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :22213645
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl 3-methylsulfanylbutanoate
Chemidplus:0233665968